Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester

InChI

InChI=1S/C21H36O4/c1-5-7-8-9-12-15-24-20(22)17-13-10-11-14-18(17)21(23)25-19(6-2)16(3)4/h10-11,16-19H,5-9,12-15H2,1-4H3

InChI Key

DLQKXNNBJYGGBC-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

CCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

352.51

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8014		Relay (1.0) Calculated Property
ΔfG°	-300.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-945.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.80	kJ/mol	Joback Calculated Property
ΔvapH°	94.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	5.060		Crippen Calculated Property
McVol	306.470	ml/mol	McGowan Calculated Property
Pc	1174.44	kPa	Joback Calculated Property
Inp	[2335.00; 2335.00]
Inp	2335.00		NIST
Inp	2335.00		NIST
Tboil	621.64	K	Relay (1.0) Calculated Property
Tc	814.17	K	Relay (1.0) Calculated Property
Tfus	279.78	K	Relay (1.0) Calculated Property
Vc	1.098	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1003.43; 1096.27]	J/mol×K	[845.62; 1045.79]
Cp,gas	1003.43	J/mol×K	845.62	Joback Calculated Property
Cp,gas	1022.31	J/mol×K	878.98	Joback Calculated Property
Cp,gas	1039.81	J/mol×K	912.34	Joback Calculated Property
Cp,gas	1055.93	J/mol×K	945.70	Joback Calculated Property
Cp,gas	1070.70	J/mol×K	979.06	Joback Calculated Property
Cp,gas	1084.14	J/mol×K	1012.42	Joback Calculated Property
Cp,gas	1096.27	J/mol×K	1045.79	Joback Calculated Property
η	[0.0000557; 0.0012029]	Pa×s	[444.65; 845.62]
η	0.0012029	Pa×s	444.65	Joback Calculated Property
η	0.0005159	Pa×s	511.48	Joback Calculated Property
η	0.0002691	Pa×s	578.31	Joback Calculated Property
η	0.0001606	Pa×s	645.13	Joback Calculated Property
η	0.0001056	Pa×s	711.96	Joback Calculated Property
η	0.0000746	Pa×s	778.79	Joback Calculated Property
η	0.0000557	Pa×s	845.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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